General Information of the Compound
| Compound ID |
CP0542880
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| Compound Name |
N-[8-(4-fluorophenyl)-12-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-4-yl]ethanesulfonamide
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| Structure |
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| Formula |
C23H21FN4O3S
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| Molecular Weight |
452.511
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| Canonical SMILES |
CCS(=O)(=O)Nc1ccc2N(Cc3cn(C)c4c3c(c[nH]c4=O)-c2c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H21FN4O3S/c1-3-32(30,31)26-16-6-9-20-18(10-16)19-11-25-23(29)22-21(19)14(12-27(22)2)13-28(20)17-7-4-15(24)5-8-17/h4-12,26H,3,13H2,1-2H3,(H,25,29)
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| InChIKey |
SQIYXUFGUUTNPM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01462, Bromodomain-containing protein 4
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000183 | MX-1 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 5.6 nM
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